SCHEMBL5448010

SCHEMBL5448010

COC(=O)c1cc(-c2nccs2)sc1N(C(=O)[C@H]1CC[C@H](C)CC1)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNB1 Q14721 2/20 0.34
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
NTRK1 P04629 1/20 0.32
OPRK1 P41145 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
BTK Q06187 1/20 0.31
MDM2 Q00987 1/20 0.31
ADORA2A P29274 3/20 0.31
ADORA1 P30542 3/20 0.31
LRRK2 Q5S007 1/20 0.31
ADORA2B P29275 1/20 0.31
HDAC3 O15379 2/20 0.30
HDAC1 Q13547 2/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5448013 1.00 KCNB1 (0.34) KCNB1GSK3AGSK3BNTRK1OPRK1
SCHEMBL5446830 0.90 MDM2 (0.33) KCNB1GSK3AGSK3BMEN1LMNA
SCHEMBL5446834 0.90 MDM2 (0.33) KCNB1GSK3AGSK3BMEN1LMNA
SCHEMBL5731703 0.87 KCNB1 (0.34) KCNB1MEN1LMNATSHRMAPK1
SCHEMBL5731473 0.84 KCNB1 (0.33) KCNB1MEN1LMNATSHRMAPK1
SCHEMBL14505505 0.81 KDM4E (0.40) ALDH1A1MEN1LMNAMAPK1KMT2A
SCHEMBL14505504 0.80 GRIA2 (0.35) ALDH1A1TSHR
SCHEMBL5403025 0.80 KDM4E (0.39) ALDH1A1MEN1TSHRKMT2ASMN1; SMN2
SCHEMBL5403021 0.80 KDM4E (0.39) ALDH1A1MEN1TSHRKMT2ASMN1; SMN2
SCHEMBL14505500 0.79 ALDH1A1 (0.40) ALDH1A1MEN1LMNAKMT2ASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070099929-A1 Substituted thiophenes AICURIS GMBH & CO. KG (DE) 2007-05-03 US disclosed
US-20070099929-A1 Substituted thiophenes AICURIS GMBH & CO. KG (DE) 2007-05-03 US disclosed
US-20070099929-A1 Substituted thiophenes AICURIS GMBH & CO. KG (DE) 2007-05-03 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070099929-A1 Substituted thiophenes TPMT, HAVCR2, MTAP KCNB1 4225/4885GSK3A 2556/4885GSK3B 2393/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.